N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide

C22H28N2O5 — CID 17130050

IUPACN'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H28N2O5/c1-6-14(2)17-9-7-8-10-18(17)29-15(3)21(25)23-24-22(26)16-11-12-19(27-4)20(13-16)28-5/h7-15H,6H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyONTPAKSFIIMUGA-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.45
Rot. Bonds8

About N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide

N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide (PubChem CID 17130050) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
PubChem CID17130050
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC NameN'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H28N2O5/c1-6-14(2)17-9-7-8-10-18(17)29-15(3)21(25)23-24-22(26)16-11-12-19(27-4)20(13-16)28-5/h7-15H,6H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyONTPAKSFIIMUGA-UHFFFAOYSA-N
XLogP3.45
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
CID 17130025
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 54781417
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 55413100
3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
CID 4932168
4-methoxy-N'-[2-(2-methoxyphenoxy)propanoyl]benzohydrazide
CID 4943348
2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 17129993
2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 17129998
[(2S)-1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9151364
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55347458
N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 42910218
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide (CID 17130050) is N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide is CCC(C)c1ccccc1OC(C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is ONTPAKSFIIMUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-6-14(2)17-9-7-8-10-18(17)29-15(3)21(25)23-24-22(26)16-11-12-19(27-4)20(13-16)28-5/h7-15H,6H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide?
N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 400.48 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 17130050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).